benzoic acid; 1,2,3,4,5-pentamethylcyclopentane; samarium

Systemtic Name: benzoic acid; 1,2,3,4,5-pentamethylcyclopentane; samarium Openeye Name: benzoic acid; 1,2,3,4,5-pentamethylcyclopentane; samarium CAS Name: benzoic acid; 1,2,3,4,5-pentamethylcyclopentane; samarium IUPAC Name: benzoic acid; 1,2,3,4,5-pentamethylcyclopentane; samarium Traditional Name: benzoic acid; 1,2,3,4,5-pentamethylcyclopentane; samarium Formula: C54H72O4Sm2 MolecularWeight: 1085.86708

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Descriptors Computed from Structure

Canonical SMILES:

C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.[Sm].[Sm]

Isomeric SMILES

C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.[Sm].[Sm]

InChI

InChI=1S/4C10H15.2C7H6O2.2Sm/c4*1-6-7(2)9(4)10(5)8(6)3;2*8-7(9)6-4-2-1-3-5-6;;/h4*1-5H3;2*1-5H,(H,8,9);;